Geometry & MOs

Info

ID:	330999
PubChem CID:	127248406
Reduced:	SO3N5C22H29 (1)
Stoich.:	AB3C5D22E29 (1)
Weight, g/mol:	439.204196
ΔH_f, kcal/mol:	-63.52
Dipole, Da:	2.72
IP(EA), eV:	-8.72(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-(dimethylamino)pyridin-3-yl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO)C

DOS

IR

Vibrations